Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15108
- Core Entity Id
- 19957
- Source Entity Count
- 1
- Preferred Name
- Conocarpan
- Name En
- Pubchem Id
- 10999992
- Smiles Canonical
- CC=CC1=CC2=C(C=C1)OC(C2C)C3=CC=C(C=C3)O
- Molecular Formula
- C18H18O2
- Molecular Weight
- 266.3400
- Inchikey
- GXJSAHXNLJFDPO-CGBXWHSCSA-N
- Inchi
- InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
- Isomeric Smiles
- C/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC=C(C=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 4.6625
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conocarpan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Conocarpan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
conocarpan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
221666-27-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
221666-27-9
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
56319-02-9
Role
alias
Source
HERB_v2
Preferred
No
Name
56319-02-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50391886
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50391886
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2147421
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2147421
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conocarpan
Role
alias
Source
itcmdb_public
Preferred
No
Name
Conocarpan
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70451404
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70451404
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N0950
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N0950
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol,4-[(2R,3R)-2,3-dihydro-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol,4-[(2R,3R)-2,3-dihydro-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
221666-27-94-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol56319-02-9BDBM50391886CHEMBL2147421DTXSID70451404HY-N0950Phenol,4-[(2R,3R)-2,3-dihydro-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl]-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021374
Npass
NPC150026
Tcm Id
19806
Pub Chem
10999992
Tcmbank
TCMBANKIN021921
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
Mol Wt
266.34
Smiles
CC=CC1=CC2=C(C=C1)OC(C2C)C3=CC=C(C=C3)O
Mol Log P
4.662500000000004
In Ch Ikey
GXJSAHXNLJFDPO-CGBXWHSCSA-N
Num Hdonors
1
Drug Likeness
0.856
Num Hacceptors
2
Isomeric Smiles
C/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC=C(C=C3)O
Canonical Smiles
CC=CC1=CC2=C(C=C1)OC(C2C)C3=CC=C(C=C3)O
Herb Alias Names
Conocarpan(-)-Conocarpan56319-02-94-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenolCHEMBL2147421DTXSID70451404Phenol,4-[(2R,3R)-2,3-dihydro-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl]-221666-27-9HY-N0950BDBM50391886
Molecular Weight
266.3 g/mol
Molecular Formula
C18H18O2
Molecular Formula
C18H18O2
Num Rotatable Bonds
2