Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22106
- Core Entity Id
- 27756
- Source Entity Count
- 1
- Preferred Name
- Indicumolide c
- Name En
- Pubchem Id
- 44477823
- Smiles Canonical
- CC1=CC2C(CCC(C2CC1O)(C)O)C(C)C(=O)O
- Molecular Formula
- C15H24O4
- Molecular Weight
- 268.3530
- Inchikey
- COAQKOGOEILNMA-WLCDGYCFSA-N
- Inchi
- InChI=1S/C15H24O4/c1-8-6-11-10(9(2)14(17)18)4-5-15(3,19)12(11)7-13(8)16/h6,9-13,16,19H,4-5,7H2,1-3H3,(H,17,18)/t9?,10-,11-,12+,13-,15+/m0/s1
- Isomeric Smiles
- CC1=C[C@H]2[C@@H](CC[C@@]([C@@H]2C[C@@H]1O)(C)O)C(C)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.8114
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Indicumolide C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Indicumolide C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Indicumolide c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Indicumolide c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
indicumolide C
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030104
Npass
NPC236976
Tcmid
33071
Sym Map
SMIT24594
Pub Chem
44477823
Tcmbank
TCMBANKIN010031
Itcmdb Generated
ITX-INGREDIENT-F02BFBAC4135
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O4/c1-8-6-11-10(9(2)14(17)18)4-5-15(3,19)12(11)7-13(8)16/h6,9-13,16,19H,4-5,7H2,1-3H3,(H,17,18)/t9?,10-,11-,12+,13-,15+/m0/s1
Mol Wt
268.353
Smiles
CC1=CC2C(CCC(C2CC1O)(C)O)C(C)C(=O)O
Mol Log P
1.8114
Version
v2
In Ch Ikey
COAQKOGOEILNMA-WLCDGYCFSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.667
Num Hacceptors
3
Isomeric Smiles
CC1=C[C@H]2[C@@H](CC[C@@]([C@@H]2C[C@@H]1O)(C)O)C(C)C(=O)O
Canonical Smiles
CC1=CC2C(CCC(C2CC1O)(C)O)C(C)C(=O)O
Molecular Weight
268.35 g/mol
Molecular Formula
C15H24O4
Molecular Formula
C15H24O4
Num Rotatable Bonds
2