Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 10Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 250
- Core Entity Id
- 2480
- Source Entity Count
- 1
- Preferred Name
- 4(15),11(13)-eudesmadien-12-oic acid
- Name En
- Pubchem Id
- 6451579
- Smiles Canonical
- CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.3390
- Inchikey
- UJQGVDNQDFTTLZ-VNHYZAJKSA-N
- Inchi
- InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1
- Isomeric Smiles
- C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(=O)O
- Cas Id
- 3650-43-9
- Ob Score
- 30.8330
- Mol Logp
- 3.7899
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5830
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-[(2R,4Ar,8As)-4A-Methyl-8-Methylene-Decalin-2-Yl]Acrylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-[(2r,4ar,8as)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-[(2r,4ar,8as)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4(15),11(13)-eudesmadien-12-oic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4(15),11(13)-eudesmadien-12-oic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4(15),11(13)-eudesmadien-12-oic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Naphthaleneacetic acid, decahydro-4a-methyl-alpha,8-bis(methylene)-, (2R-(2alpha,4aalpha,8abeta))-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Naphthaleneacetic acid, decahydro-4a-methyl-alpha,8-bis(methylene)-, (2R-(2alpha,4aalpha,8abeta))-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
3650-43-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
3650-43-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6109CN8DDD
Role
alias
Source
HERB_v2
Preferred
No
Name
6109CN8DDD
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cosstic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Cosstic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Costic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Costic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Costus acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Costus acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eudesma-4(14),11(13)-dien-12-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Eudesma-4(14),11(13)-dien-12-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-6109CN8DDD
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-6109CN8DDD
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Costic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Costic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-[(2R,4Ar,8As)-4A-Methyl-8-Methylene-Decalin-2-Yl]Acrylic Acid2-Naphthaleneacetic acid, decahydro-4a-methyl-alpha,8-bis(methylene)-, (2R-(2alpha,4aalpha,8abeta))-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid3650-43-96109CN8DDDCosstic acidCostic acidCostus acidEudesma-4(14),11(13)-dien-12-oic acidUNII-6109CN8DDDbeta-Costic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
3650-43-9
Herb
HBIN003761HBIN009820
Npass
NPC235586
Tcmid
30815334684126
Tcmsp
MOL010824
Sym Map
SMIT11809SMIT14770
Tcm Id
221877983
Pub Chem
6451579
Tcmbank
TCMBANKIN007788TCMBANKIN060114
Etcm Ingredient
2-[(2R,4aR,8aS)-4a-methyl-8-methylene-decalin-2-yl]acrylic acid
Itcmdb Generated
ITX-INGREDIENT-93AA4E7B20A5
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1
Mol Wt
234.339
Cas Id
3650-43-9
Smiles
CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O
Mol Log P
3.789900000000002
Version
v1,v2
In Ch Ikey
UJQGVDNQDFTTLZ-VNHYZAJKSA-N
Ob Score
30.83330.83329930.8332994
Suppress
0
Num Hdonors
1
Drug Likeness
0.583
Num Hacceptors
1
Isomeric Smiles
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(=O)O
Molecule Weight
234.37
Canonical Smiles
CC12CCCC(=C)C1CC(CC2)C(=C)C(=O)O
Herb Alias Names
Costic acid3650-43-9beta-Costic acidCostus acidUNII-6109CN8DDD6109CN8DDD2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acidEudesma-4(14),11(13)-dien-12-oic acid2-Naphthaleneacetic acid, decahydro-4a-methyl-alpha,8-bis(methylene)-, (2R-(2alpha,4aalpha,8abeta))-Cosstic acid
Molecular Weight
234.160
Molecular Weight
234.33
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.403
Quantitative Estimate Of Drug Likeness（Qed）
0.583