Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15085
- Core Entity Id
- 19932
- Source Entity Count
- 1
- Preferred Name
- Conferol
- Name En
- Pubchem Id
- 11892267
- Smiles Canonical
- CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C
- Molecular Formula
- C24H30O4
- Molecular Weight
- 382.5000
- Inchikey
- MCTDXPDDZLFJHR-HWXYTADMSA-N
- Inchi
- InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21+,24+/m1/s1
- Isomeric Smiles
- CC1=CC[C@H]2[C@]([C@@H]1COC3=CC4=C(C=C3)C=CC(=O)O4)(CC[C@@H](C2(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.9414
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conferol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Conferol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Conferol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Conferol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
conferol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
41743-46-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
41743-46-8
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(((1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy)chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-[[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1078139
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1078139
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-818599
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC818599
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12362725
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL12362725
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
41743-46-87-(((1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy)chromen-2-one7-[[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-oneCHEMBL1078139NSC-818599NSC818599SCHEMBL12362725
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021343
Npass
NPC20631
Tcmid
3969
Sym Map
SMIT23073
Pub Chem
11892267
Tcmbank
TCMBANKIN019587
Etcm Ingredient
Conferol
Itcmdb Generated
ITX-INGREDIENT-7C79BCCE96A4ITX-INGREDIENT-904739CDD401
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21+,24+/m1/s1
Mol Wt
382.5000000000002
Smiles
CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C
Mol Log P
4.941400000000006
Version
v2
In Ch Ikey
MCTDXPDDZLFJHR-HWXYTADMSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.603
Num Hacceptors
4
Isomeric Smiles
CC1=CC[C@H]2[C@]([C@@H]1COC3=CC4=C(C=C3)C=CC(=O)O4)(CC[C@@H](C2(C)C)O)C
Canonical Smiles
CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C
Herb Alias Names
7-(((1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy)chromen-2-one7-[[(1R,4aS,6S,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-oneCHEMBL1078139SCHEMBL12362725NSC818599NSC-81859941743-46-8
Molecular Weight
382.210
Molecular Weight
382.5 g/mol
Molecular Formula
C24H30O4
Molecular Formula
C24H30O4
Molecular Formula
C24H30O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.959
Quantitative Estimate Of Drug Likeness（Qed）
0.603