Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5177
- Core Entity Id
- 8942
- Source Entity Count
- 1
- Preferred Name
- 3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
- Name En
- Pubchem Id
- 155679845
- Smiles Canonical
- COC1=C(C=CC2=C1C3=CC=CC=C3CC2)CC4=CC=C(C=C4)O
- Molecular Formula
- C22H20O2
- Molecular Weight
- 316.4000
- Inchikey
- MSBLHJVDGZEYIG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H20O2/c1-24-22-18(14-15-6-12-19(23)13-7-15)11-10-17-9-8-16-4-2-3-5-20(16)21(17)22/h2-7,10-13,23H,8-9,14H2,1H3
- Isomeric Smiles
- COC1=C(C=CC2=C1C3=CC=CC=C3CC2)CC4=CC=C(C=C4)O
- Cas Id
- Ob Score
- 37.9778
- Mol Logp
- 4.7572
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(P-Hydroxybenzyl)-4-Methoxy-9,10-Dihydrophenanthrene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(p-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009475
Npass
NPC36269
Tcmid
9846
Tcmsp
MOL005761
Sym Map
SMIT07473
Pub Chem
155679845
Tcmbank
TCMBANKIN018093
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C22H20O2/c1-24-22-18(14-15-6-12-19(23)13-7-15)11-10-17-9-8-16-4-2-3-5-20(16)21(17)22/h2-7,10-13,23H,8-9,14H2,1H3
Mol Wt
316.4
Mol Log P
4.757200000000004
Version
v1,v2
In Ch Ikey
MSBLHJVDGZEYIG-UHFFFAOYSA-N
Ob Score
37.97781737.9778172237.978
Suppress
0
Num Hdonors
1
Drug Likeness
0.755
Num Hacceptors
2
Isomeric Smiles
COC1=C(C=CC2=C1C3=CC=CC=C3CC2)CC4=CC=C(C=C4)O
Molecule Weight
348.42
Canonical Smiles
COC1=C(C=CC2=C1C3=CC=CC=C3CC2)CC4=CC=C(C=C4)O
Molecular Weight
348.42
Molecular Formula
C22H20O2
Num Rotatable Bonds
3