Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15087
- Core Entity Id
- 19934
- Source Entity Count
- 1
- Preferred Name
- Confertifolin
- Name En
- Pubchem Id
- 442187
- Smiles Canonical
- CC1(CCCC2(C1CCC3=C2COC3=O)C)C
- Molecular Formula
- C15H22O2
- Molecular Weight
- 234.3390
- Inchikey
- ZERYGJQXPPRRCW-SWLSCSKDSA-N
- Inchi
- InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15+/m0/s1
- Isomeric Smiles
- C[C@]12CCCC([C@@H]1CCC3=C2COC3=O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.4662
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Confertifolin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Confertifolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Confertifolin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Confertifolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
confertifolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-Confertifolin
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Confertifolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1811-23-0
Role
alias
Source
HERB_v2
Preferred
No
Name
1811-23-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:3855
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:3855
Role
alias
Source
itcmdb_public
Preferred
No
Name
CONFERTIFOLINE
Role
alias
Source
HERB_v2
Preferred
No
Name
CONFERTIFOLINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30171075
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30171075
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC375294
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC375294
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho(1,2-c)furan-3(1H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (5aS-trans)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphtho(1,2-c)furan-3(1H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (5aS-trans)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL11403009
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL11403009
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-Confertifolin(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one1811-23-0CHEBI:3855CONFERTIFOLINEDTXSID30171075NSC375294Naphtho(1,2-c)furan-3(1H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (5aS-trans)-SCHEMBL11403009
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021345
Npass
NPC139353
Tcmid
3971
Sym Map
SMIT23075
Pub Chem
442187
Tcmbank
TCMBANKIN011815
Etcm Ingredient
Confertifolin
Itcmdb Generated
ITX-INGREDIENT-6A648AFAFB15ITX-INGREDIENT-F73FEBBD1F4D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h12H,4-9H2,1-3H3/t12-,15+/m0/s1
Mol Wt
234.339
Smiles
CC1(CCCC2(C1CCC3=C2COC3=O)C)C
Mol Log P
3.466200000000002
Version
v2
In Ch Ikey
ZERYGJQXPPRRCW-SWLSCSKDSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.6
Num Hacceptors
2
Isomeric Smiles
C[C@]12CCCC([C@@H]1CCC3=C2COC3=O)(C)C
Canonical Smiles
CC1(CCCC2(C1CCC3=C2COC3=O)C)C
Herb Alias Names
1811-23-0(+)-ConfertifolinCONFERTIFOLINE(5aS,9aS)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-oneNaphtho(1,2-c)furan-3(1H)-one, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (5aS-trans)-NSC375294CHEBI:3855SCHEMBL11403009DTXSID30171075
Molecular Weight
234.160
Molecular Weight
234.33 g/mol
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Molecular Formula
C15H22O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.608
Quantitative Estimate Of Drug Likeness（Qed）
0.735