ITCMDBv1
IngredientID 14251

Chinova acid

C30H46O5

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 4Ingredient: 1Reference: 1Target: 3Links: 8
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
14251
Core Entity Id
19008
Source Entity Count
1
Preferred Name
Chinova acid
Name En
Pubchem Id
120678
Smiles Canonical
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)C(=O)O
Molecular Formula
C30H46O5
Molecular Weight
486.6930
Inchikey
OJUYFGQEMPENCE-DPKHZRJYSA-N
Inchi
InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,22+,23+,27+,28-,29+,30-/m1/s1
Isomeric Smiles
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O
Cas Id
465-74-7
Ob Score
17.4430
Mol Logp
6.1542
Num H Donors
3
Num H Acceptors
3
Num Rotatable Bonds
2
Drug Likeness
0.4070
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Chinova Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Chinova acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chinova acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
465-74-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
465-74-7
Role
alias
Source
HERB_v2
Preferred
No
Name
9JP167T0ZN
Role
alias
Source
itcmdb_public
Preferred
No
Name
9JP167T0ZN
Role
alias
Source
HERB_v2
Preferred
No
Name
BRN 3113936
Role
alias
Source
itcmdb_public
Preferred
No
Name
BRN 3113936
Role
alias
Source
HERB_v2
Preferred
No
Name
Chinovic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Chinovic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinovaic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Quinovaic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinovic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Quinovic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quivic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Quivic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-9JP167T0ZN
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9JP167T0ZN
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chinova acid;quinovic acid
Role
preferred
Source
TCMBank
Preferred
Yes

Aliases

Additional names normalized into the restored final schema.

(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid465-74-79JP167T0ZNBRN 3113936Chinovic acidQuinovaic acidQuinovic acidQuivic acidUNII-9JP167T0ZNChinova acid;quinovic acid

Cross References

Trusted external identifiers retained for this final record.

Cas
465-74-7
Herb
HBIN020331HBIN041762
Npass
NPC242631
Tcmid
1841231895
Tcmsp
MOL005742
Sym Map
SMIT07456
Pub Chem
120678
Tcmbank
TCMBANKIN060543

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C30H46O5/c1-17-9-14-29(24(32)33)15-16-30(25(34)35)19(23(29)18(17)2)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h7,17-18,20-23,31H,8-16H2,1-6H3,(H,32,33)(H,34,35)/t17-,18+,20+,21-,22+,23+,27+,28-,29+,30-/m1/s1
Mol Wt
486.6930000000002
Cas Id
465-74-7
Smiles
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)C(=O)O
Mol Log P
6.154200000000006
Version
v1,v2
In Ch Ikey
OJUYFGQEMPENCE-DPKHZRJYSA-N
Ob Score
17.4429525717.443
Suppress
0
Num Hdonors
3
Drug Likeness
0.407
Num Hacceptors
3
Isomeric Smiles
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O
Molecule Weight
486.76
Canonical Smiles
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C(=O)O)C(=O)O
Herb Alias Names
Quinovic acid465-74-7Quinovaic acidChinovic acidQuivic acid(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acidUNII-9JP167T0ZNBRN 31139369JP167T0ZN
Molecular Weight
486.68
Molecular Formula
C30H46O5
Molecular Formula
C30H46O5
Num Rotatable Bonds
2