General Information of the Compound
| Compound ID |
CP0137277
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| Compound Name |
Abietic Acid
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| Synonyms |
(-)-Abietic acid
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-,
13-Isopropylpodocarpa-7,13-dien-15-oic acid
514-10-3
7,13-Abietadien-18-oic acid
ABIETIC ACID
AI3-17273
Abieta-7,13-dien-18-oic acid
Abietate
Abietic acid
Abietic acid, 85%
Abietic acid, technical
Abietinic acid
CCRIS 3183
CHEBI:28987
EINECS 208-178-3
Kyselina abietova
Kyselina abietova [Czech]
MFCD03423567
NCGC00166273-01
NSC 25149
NSC25149
Rosin Acid
Sylvic acid
UNII-V3DHX33184
V3DHX33184
l-Abietic acid
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| Structure |
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| Formula |
C20H30O2
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| Molecular Weight |
302.458
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| Canonical SMILES |
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
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| InChI |
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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| InChIKey |
RSWGJHLUYNHPMX-ONCXSQPRSA-N
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| CAS |
514-10-3
72452-62-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Clinical Information about the Compound